2-fluoro-N-methyl-4-(triazol-2-yl)aniline

C9H9FN4 — CID 150254658

IUPAC2-fluoro-N-methyl-4-(triazol-2-yl)aniline
SMILESCNc1ccc(-n2nccn2)cc1F
InChIInChI=1S/C9H9FN4/c1-11-9-3-2-7(6-8(9)10)14-12-4-5-13-14/h2-6,11H,1H3
InChIKeyGAHOEHYKKRVUBR-UHFFFAOYSA-N
MW192.20 g/mol
LogP1.45
Rot. Bonds2

About 2-fluoro-N-methyl-4-(triazol-2-yl)aniline

2-fluoro-N-methyl-4-(triazol-2-yl)aniline (PubChem CID 150254658) has the molecular formula C9H9FN4 and a molecular weight of 192.20 g/mol. Its IUPAC name is 2-fluoro-N-methyl-4-(triazol-2-yl)aniline.

Molecular Properties

Compound Name2-fluoro-N-methyl-4-(triazol-2-yl)aniline
PubChem CID150254658
Molecular FormulaC9H9FN4
Molecular Weight192.20 g/mol
Exact Mass192.08
IUPAC Name2-fluoro-N-methyl-4-(triazol-2-yl)aniline
SMILESCNc1ccc(-n2nccn2)cc1F
InChIInChI=1S/C9H9FN4/c1-11-9-3-2-7(6-8(9)10)14-12-4-5-13-14/h2-6,11H,1H3
InChIKeyGAHOEHYKKRVUBR-UHFFFAOYSA-N
XLogP1.45
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-4-(triazol-2-yl)aniline?
The IUPAC name of 2-fluoro-N-methyl-4-(triazol-2-yl)aniline (CID 150254658) is 2-fluoro-N-methyl-4-(triazol-2-yl)aniline.
What is the SMILES notation for 2-fluoro-N-methyl-4-(triazol-2-yl)aniline?
The canonical SMILES for 2-fluoro-N-methyl-4-(triazol-2-yl)aniline is CNc1ccc(-n2nccn2)cc1F.
What is the InChIKey of 2-fluoro-N-methyl-4-(triazol-2-yl)aniline?
The InChIKey is GAHOEHYKKRVUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4/c1-11-9-3-2-7(6-8(9)10)14-12-4-5-13-14/h2-6,11H,1H3.
What are the key properties of 2-fluoro-N-methyl-4-(triazol-2-yl)aniline?
2-fluoro-N-methyl-4-(triazol-2-yl)aniline has a molecular weight of 192.20 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-4-(triazol-2-yl)aniline is sourced from PubChem (CID 150254658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).